(2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C14H24N4O2 — CID 97470704

IUPAC(2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCO[C@@H]1CCN(C(=O)N(C)C)[C@@H]1Cc1cnn(C)c1
InChIInChI=1S/C14H24N4O2/c1-5-20-13-6-7-18(14(19)16(2)3)12(13)8-11-9-15-17(4)10-11/h9-10,12-13H,5-8H2,1-4H3/t12-,13-/m1/s1
InChIKeySGWIICMGUDOMHQ-CHWSQXEVSA-N
MW280.37 g/mol
LogP1.12
Rot. Bonds4

About (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

(2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 97470704) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID97470704
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCO[C@@H]1CCN(C(=O)N(C)C)[C@@H]1Cc1cnn(C)c1
InChIInChI=1S/C14H24N4O2/c1-5-20-13-6-7-18(14(19)16(2)3)12(13)8-11-9-15-17(4)10-11/h9-10,12-13H,5-8H2,1-4H3/t12-,13-/m1/s1
InChIKeySGWIICMGUDOMHQ-CHWSQXEVSA-N
XLogP1.12
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 97470704) is (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is CCO[C@@H]1CCN(C(=O)N(C)C)[C@@H]1Cc1cnn(C)c1.
What is the InChIKey of (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is SGWIICMGUDOMHQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-20-13-6-7-18(14(19)16(2)3)12(13)8-11-9-15-17(4)10-11/h9-10,12-13H,5-8H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
(2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97470704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).